8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C16H25N3O2S — CID 4900413

IUPAC8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCOCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3O2S/c1-2-3-4-6-13-14(18-8-10-21-11-9-18)17-16-19(15(13)20)7-5-12-22-16/h2-12H2,1H3
InChIKeyCMMGEFONUCMDQY-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.31
Rot. Bonds5

About 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4900413) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4900413
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCOCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3O2S/c1-2-3-4-6-13-14(18-8-10-21-11-9-18)17-16-19(15(13)20)7-5-12-22-16/h2-12H2,1H3
InChIKeyCMMGEFONUCMDQY-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Related Compounds

7-ethyl-8-morpholin-4-yl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 53003151
7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 53298898
8-(morpholin-4-yl)-7-octyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1906883
7-Morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4901367
8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4906761
8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4911893
8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4974739
7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4974916
7-cyclohexyl-8-(4-morpholinyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 171982133

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4900413) is 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(N2CCOCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is CMMGEFONUCMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-3-4-6-13-14(18-8-10-21-11-9-18)17-16-19(15(13)20)7-5-12-22-16/h2-12H2,1H3.
What are the key properties of 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 323.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4900413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).